Pactamycin; 5''-Fluoro

AlkaPlorer ID: AK309156

Synonym: 5''-Fluoropactamycin

IUPAC Name: [5-(3-acetyl-5-fluoroanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate

Structure

SMILES: CC(=O)C1=CC(NC2C(N)C(NC(=O)N(C)C)(C(C)O)C(C)(O)C2(O)COC(=O)C2=C(C)C=CC=C2O)=CC(F)=C1

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InChI: InChI=1S/C28H37FN4O8/c1-14-8-7-9-20(36)21(14)24(37)41-13-27(40)23(31-19-11-17(15(2)34)10-18(29)12-19)22(30)28(16(3)35,26(27,4)39)32-25(38)33(5)6/h7-12,16,22-23,31,35-36,39-40H,13,30H2,1-6H3,(H,32,38)

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InChIKey: QSCQVUYCJNYHCJ-UHFFFAOYSA-N

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Reference

PubChem CID: 76388734

COCONUT: CNP0180029.1

Source

Properties Information

Molecule Weight: 576.6220000000003

TPSA: 194.68

MolLogP: 0.8936200000000019

Number of H-Donors: 7

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information